SCHEMBL112686

SCHEMBL112686

COC(=O)c1cc(F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
NR1H2 P55055 1/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
BACE1 P56817 3/20 0.45
ALDH1A1 P00352 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
S1PR2 O95136 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL111206 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNATP53THRB
SCHEMBL21360313 0.87 S1PR2 (0.53) SMN1; SMN2MAPTLMNATP53THRB
SCHEMBL654933 0.85 MEN1 (0.51) SMN1; SMN2NR1H2MAPTLMNABACE1
SCHEMBL21700855 0.85 BACE1 (0.57) NR1H2MAPTLMNABACE1ALDH1A1
SCHEMBL265878 0.85 NR1H2 (0.50) SMN1; SMN2NR1H2MAPTLMNATHRB
SCHEMBL13156285 0.84 ALDH1A1 (0.57) SMN1; SMN2NR1H2MAPTLMNATP53
SCHEMBL31250021 0.84 ALDH1A1 (0.57) SMN1; SMN2NR1H2MAPTLMNATP53
SCHEMBL22532774 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNATP53THRB
SCHEMBL15703554 0.82 CCNT1 (0.49) SMN1; SMN2MAPTLMNATP53BACE1
SCHEMBL7352143 0.82 KMT2A (0.52) SMN1; SMN2NR1H2MAPTLMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 SMN1; SMN2 4561/4885NR1H2 140/4885MAPT 4772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.